2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one

C20H21N3O — CID 171344715

IUPAC2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one
SMILESCCC(CC)=NNC1=Nc2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C20H21N3O/c1-3-15(4-2)22-23-20-18(14-10-6-5-7-11-14)19(24)16-12-8-9-13-17(16)21-20/h5-13,18H,3-4H2,1-2H3,(H,21,23)
InChIKeyNSKKDJFZCQPWEN-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.46
Rot. Bonds4

About 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one

2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one (PubChem CID 171344715) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one
PubChem CID171344715
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one
SMILESCCC(CC)=NNC1=Nc2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C20H21N3O/c1-3-15(4-2)22-23-20-18(14-10-6-5-7-11-14)19(24)16-12-8-9-13-17(16)21-20/h5-13,18H,3-4H2,1-2H3,(H,21,23)
InChIKeyNSKKDJFZCQPWEN-UHFFFAOYSA-N
XLogP4.46
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1H-cinnolin-4-one
CID 665115
N-(2-methyl-4-oxoquinazolin-3(4H)-yl)-4-propylcyclohexanecarboxamide
CID 3240707
3-Methyl-4-cinnolinol
CID 257352
4-Hexyl-N-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-YL)cyclohexane-1-carboxamide
CID 9550890
2-(3-methylbutyl)-3H-quinolin-4-one
CID 122640658
N'-[3-(2-aminophenyl)-3-oxopropyl]benzenecarboximidamide
CID 164614407
2-Nonyl-4-quinolone
CID 126421925
2-[(E)-(phenylhydrazinylidene)methyl]indol-3-one
CID 46886710
2-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]indol-3-one
CID 46886711
2-[(E)-[(4-propan-2-ylphenyl)hydrazinylidene]methyl]indol-3-one
CID 46886863
N-(2-isopropyl-4-oxo-4H-quinazolin-3-yl)-2-phenylpropionamide
CID 23736175
2-[[(4-Propan-2-ylphenyl)hydrazinylidene]methyl]indol-3-one
CID 75169488

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one?
The IUPAC name of 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one (CID 171344715) is 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one.
What is the SMILES notation for 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one?
The canonical SMILES for 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one is CCC(CC)=NNC1=Nc2ccccc2C(=O)C1c1ccccc1.
What is the InChIKey of 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one?
The InChIKey is NSKKDJFZCQPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-15(4-2)22-23-20-18(14-10-6-5-7-11-14)19(24)16-12-8-9-13-17(16)21-20/h5-13,18H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one?
2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-ylidenehydrazinyl)-3-phenyl-3H-quinolin-4-one is sourced from PubChem (CID 171344715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).